Glycoside
...
GD016037

Name:
None

Formula:
C33H38O8N4

Smiles:
CO[C@@H]1[C@H](OC(=O)c2ccc(C)[nH]2)[C@H](O)[C@H](Oc2ccc3c(N4CCN(c5ccccn5)CC4)cc(=O)oc3c2C)OC1(C)C

Aglycone:
Cc1c(O)ccc2c(N3CCN(c4ccccn4)CC3)cc(=O)oc12.Cc1ccc(C(=O)O)[nH]1

Sugarmoiety:
COC1C(O)C(O)C(O)OC1(C)C

Other Identifiers

Properties
HBA: 12 RingCount: 6
HBD: 2 FractionCSP3: 0.42
AlogP: 3.57 Num_rotatable_bonds: 7
MolWt: 618.69 Num_heavy_atoms: 45
TPSA: 139.59 NumAromaticRings: 4

Unique Aglycone
AD00152
Formula: C6H7O2N

Smiles:
Cc1ccc(C(=O)O)[nH]1
HBA: 3 RingCount: 1
HBD: 2 FractionCSP3: 0.17
AlogP: 1.02 Num_rotatable_bonds: 1
MolWt: 125.13 Num_heavy_atoms: 9
TPSA: 53.09 NumAromaticRings: 1
AD11591
Formula: C19H19O3N3

Smiles:
Cc1c(O)ccc2c(N3CCN(c4ccccn4)CC3)cc(=O)oc12
HBA: 6 RingCount: 4
HBD: 1 FractionCSP3: 0.26
AlogP: 2.53 Num_rotatable_bonds: 2
MolWt: 337.38 Num_heavy_atoms: 25
TPSA: 69.81 NumAromaticRings: 3

Sugarmoiety
SD00066

COC1C(O)C(O)C(O)OC1(C)C